8-benzyl-4-cyclohexylimino-1-(3-methylbutyl)-1,3,8-triazaspiro[4.5]decan-2-one

C25H38N4O — CID 135875882

IUPAC8-benzyl-4-cyclohexylimino-1-(3-methylbutyl)-1,3,8-triazaspiro[4.5]decan-2-one
SMILESCC(C)CCN1C(=O)N/C(=N\C2CCCCC2)C12CCN(Cc1ccccc1)CC2
InChIInChI=1S/C25H38N4O/c1-20(2)13-16-29-24(30)27-23(26-22-11-7-4-8-12-22)25(29)14-17-28(18-15-25)19-21-9-5-3-6-10-21/h3,5-6,9-10,20,22H,4,7-8,11-19H2,1-2H3,(H,26,27,30)
InChIKeyUENREBBPIRJWDJ-UHFFFAOYSA-N
MW410.61 g/mol
LogP4.82
Rot. Bonds6

About 8-benzyl-4-cyclohexylimino-1-(3-methylbutyl)-1,3,8-triazaspiro[4.5]decan-2-one

8-benzyl-4-cyclohexylimino-1-(3-methylbutyl)-1,3,8-triazaspiro[4.5]decan-2-one (PubChem CID 135875882) has the molecular formula C25H38N4O and a molecular weight of 410.61 g/mol. Its IUPAC name is 8-benzyl-4-cyclohexylimino-1-(3-methylbutyl)-1,3,8-triazaspiro[4.5]decan-2-one.

Molecular Properties

Compound Name8-benzyl-4-cyclohexylimino-1-(3-methylbutyl)-1,3,8-triazaspiro[4.5]decan-2-one
PubChem CID135875882
Molecular FormulaC25H38N4O
Molecular Weight410.61 g/mol
Exact Mass410.30
IUPAC Name8-benzyl-4-cyclohexylimino-1-(3-methylbutyl)-1,3,8-triazaspiro[4.5]decan-2-one
SMILESCC(C)CCN1C(=O)N/C(=N\C2CCCCC2)C12CCN(Cc1ccccc1)CC2
InChIInChI=1S/C25H38N4O/c1-20(2)13-16-29-24(30)27-23(26-22-11-7-4-8-12-22)25(29)14-17-28(18-15-25)19-21-9-5-3-6-10-21/h3,5-6,9-10,20,22H,4,7-8,11-19H2,1-2H3,(H,26,27,30)
InChIKeyUENREBBPIRJWDJ-UHFFFAOYSA-N
XLogP4.82
TPSA47.94 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.61
LogP ≤ 54.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

Analyze 8-benzyl-4-cyclohexylimino-1-(3-methylbutyl)-1,3,8-triazaspiro[4.5]decan-2-one with MolForge

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Launch Full Analysis

Related Compounds

(8R)-8-ethyl-4-methyl-2-phenyl-3a,7,8,9b-tetrahydro-1H-imidazo[2,1-f]purin-5-one
CID 168274222
3-(1-(3-Methylbenzyl)-piperidin-4-yl)-5-phenyl-5-cyclohexyl-imidazolidin-2-one
CID 16125683
8-Benzyl-4-(cyclohexylamino)-1-phenyl-1,3,8-triazaspiro[4.5]dec-3-en-2-one
CID 135492826
1,1-Dimethyl-4-(2-oxo-4,4-diphenyl-imidazolidin-1-yl)-piperidinium
CID 16125257
3-(1-Benzyl-piperidin-4-yl)-5-phenyl-5-cyclohexyl-imidazolidin-2-one
CID 16125373
3-(1-Methyl-piperidin-4-yl)-5,5-diphenyl-imidazolidin-2-one
CID 16125443
3-(1-Cyclohexylmethyl-piperidin-4-yl)-5,5-diphenyl-imidazolidin-2-one
CID 16125503
8-Benzyl-4-(cyclohexylamino)-1,3,8-triazaspiro[4.5]dec-3-en-2-one
CID 135875881
1,8-Dibenzyl-4-(cyclohexylamino)-1,3,8-triazaspiro[4.5]dec-3-en-2-one
CID 135875883
1-(1-Benzylpiperidin-4-yl)-4,4-dicyclohexylimidazolidin-2-one
CID 16125225
1-(1-Benzylpiperidin-4-yl)-3-[2-(dimethylamino)-1-phenylethyl]urea
CID 42951351
8-Benzyl-4-cyclohexylimino-1-(3,3-dimethylbutyl)-1,3,8-triazaspiro[4.5]decan-2-one
CID 135960747

Frequently Asked Questions

What is the IUPAC name of 8-benzyl-4-cyclohexylimino-1-(3-methylbutyl)-1,3,8-triazaspiro[4.5]decan-2-one?
The IUPAC name of 8-benzyl-4-cyclohexylimino-1-(3-methylbutyl)-1,3,8-triazaspiro[4.5]decan-2-one (CID 135875882) is 8-benzyl-4-cyclohexylimino-1-(3-methylbutyl)-1,3,8-triazaspiro[4.5]decan-2-one.
What is the SMILES notation for 8-benzyl-4-cyclohexylimino-1-(3-methylbutyl)-1,3,8-triazaspiro[4.5]decan-2-one?
The canonical SMILES for 8-benzyl-4-cyclohexylimino-1-(3-methylbutyl)-1,3,8-triazaspiro[4.5]decan-2-one is CC(C)CCN1C(=O)N/C(=N\C2CCCCC2)C12CCN(Cc1ccccc1)CC2.
What is the InChIKey of 8-benzyl-4-cyclohexylimino-1-(3-methylbutyl)-1,3,8-triazaspiro[4.5]decan-2-one?
The InChIKey is UENREBBPIRJWDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H38N4O/c1-20(2)13-16-29-24(30)27-23(26-22-11-7-4-8-12-22)25(29)14-17-28(18-15-25)19-21-9-5-3-6-10-21/h3,5-6,9-10,20,22H,4,7-8,11-19H2,1-2H3,(H,26,27,30).
What are the key properties of 8-benzyl-4-cyclohexylimino-1-(3-methylbutyl)-1,3,8-triazaspiro[4.5]decan-2-one?
8-benzyl-4-cyclohexylimino-1-(3-methylbutyl)-1,3,8-triazaspiro[4.5]decan-2-one has a molecular weight of 410.61 g/mol, XLogP of 4.82, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 8-benzyl-4-cyclohexylimino-1-(3-methylbutyl)-1,3,8-triazaspiro[4.5]decan-2-one is sourced from PubChem (CID 135875882), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).